6b_7b_TSS_ACN_ACN

GENERAL INFO

Title:	6b_7b_TSS_ACN_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199639
Program:	Gaussian 09 AM64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.6045	-0.7004	2.5334	2.6971

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-118.2878	-166.3062	-194.7564	2.1317	6.7979	1.0790

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.6045	-0.7004	2.5334	2.6971

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-118.2878	-166.3062	-194.7565	2.1317	6.7979	1.0790

Report data

Creative Commons License

This HTML file

Creative Commons License